SCHEMBL6234522

SCHEMBL6234522

COc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.52
HTR7 P34969 2/20 0.51
HTR4 Q13639 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
TP53 P04637 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6236246 0.90 HTR6 (0.53) HTR6HTR7HTR4
SCHEMBL6235201 0.87 HTR6 (0.52) HTR6HTR7HTR4
SCHEMBL6234497 0.86 TSHR (0.65) HTR6DRD2ADRA1B
SCHEMBL6236033 0.85 HTR6 (0.52) HTR6
SCHEMBL32672558 0.82 HTR6 (0.58) HTR6HTR7HTR4
SCHEMBL32672532 0.81 HTR6 (0.59) HTR6HTR7HTR4
SCHEMBL6235673 0.79 PDE4A (0.62) HTR6TP53
SCHEMBL6234462 0.79 PDE4A (0.62) HTR6TP53
SCHEMBL8084533 0.79 HTR6 (0.51) HTR6
SCHEMBL31587937 0.78 MEN1 (0.59) HTR6HTR7HTR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049679-B1 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
US-6548504-B1 Compounds SMITHKLINE BEECHAM P.L.C. (GB) 2003-04-15 US claimed
EP-1049679-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2000-11-08 EP claimed
WO-1999037623-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO claimed
EP-1049679-B1 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6548504-B1 Compounds SMITHKLINE BEECHAM P.L.C. (GB) 2003-04-15 US disclosed
EP-1049679-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2000-11-08 EP disclosed
WO-1999037623-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed